UCSF

ZINC35636525

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 33 Yes

Popular Name: (4S)-1-ethyl-6-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H (4S)-1-ethyl-6-[2-(4-methylpiper…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 6.79 -21.75 1 8 0 76 465.476 5 ↓
Mid Mid (pH 6-8) 2.23 9.15 -58.82 2 8 1 77 466.484 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.